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- ChemComp-PMH: (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRI... -

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Basic information

EntryDatabase: PDB chemical components / ID: PMH
NameName: (5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Synonyms: PMP-HYDROXYISOXAZOLE; PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE

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Chemical information

Composition
Formula: C11H14N3O7P / Number of atoms: 36 / Formula weight: 331.219 / Formal charge: 0
Others

1xqk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PMH / Model coordinates PDB-ID: 1XQK
History
Create componentOct 27, 2004
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
External linksUniChem / ChemSpider / DrugBank / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O

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InChI

InChI 1.03InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)

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InChIKey

InChI 1.03PXWFNGNWQUPGPJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0[5-hydroxy-4-[[(3-hydroxy-1,2-oxazol-4-yl)amino]methyl]-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 2 items

PDB-1xqk:
Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase

PDB-1xql:
Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase

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